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The Journal of Physical Chemistry. A
|
April 25, 2012
Geometry optimizations of open-shell systems with the fragment molecular orbital method
Spencer R Pruitt, Dmitri G Fedorov, Mark S Gordon
The Journal of Physical Chemistry. A
|
July 13, 2006
Triazolium-based energetic ionic liquids
Michael W Schmidt, Mark S Gordon, Jerry A Boatz
Physical Chemistry Chemical Physics : PCCP
|
September 29, 2015
Ab initio investigation of the aqueous solvation of the nitrate ion
Spencer R Pruitt, Kurt R Brorsen, Mark S Gordon
The Journal of Chemical Physics
|
November 6, 2007
Accurate ab initio potential energy curve of F2. I. Nonrelativistic full valence configuration interaction energies using the correlation energy extrapolation by intrinsic scaling method
Laimutis Bytautas, Takeshi Nagata, Mark S Gordon, et al.
The Journal of Chemical Physics
|
May 6, 2006
Growing multiconfigurational potential energy surfaces with applications to X + H2 (X = C,N,O) reactions
Heather M Netzloff, Michael A Collins, Mark S Gordon
The Journal of Physical Chemistry. B
|
July 26, 2006
Comparative study of surface cycloadditions of ethylene and 2-butene on the Si(100)-2 x 1 surface
Hee Soon Lee, Cheol Ho Choi, Mark S Gordon
Journal of the American Chemical Society
|
November 5, 2025
Atoms and Bonds as Synergisms of Interacting Electrons and Nuclei. The Origin of Chemical Bonds in Polyatomic Molecules
Daniel Del Angel Cruz, Mark S Gordon, Klaus Ruedenberg
Journal of Chemical Theory and Computation
|
April 4, 2022
A Task-Based Approach to Parallel Restricted Hartree-Fock Calculations
David Poole, Jorge L Galvez Vallejo, Mark S Gordon
Journal of the American Chemical Society
|
May 23, 2002
Structure and thermodynamics of carbon and carbon/silicon precursors to nanostructures
Vassiliki-Alexandra Glezakou, Jerry A Boatz, Mark S Gordon
The Journal of Physical Chemistry. A
|
April 21, 2011
Benzene-pyridine interactions predicted by the effective fragment potential method
Quentin A Smith, Mark S Gordon, Lyudmila V Slipchenko
Page
of 26
Search research articles
Search
Showing results (101-110 of 258) with videos related to
Sort By:
Page
of 26
The Journal of Physical Chemistry. A
|
April 25, 2012
Geometry optimizations of open-shell systems with the fragment molecular orbital method
Spencer R Pruitt, Dmitri G Fedorov, Mark S Gordon
The Journal of Physical Chemistry. A
|
July 13, 2006
Triazolium-based energetic ionic liquids
Michael W Schmidt, Mark S Gordon, Jerry A Boatz
Physical Chemistry Chemical Physics : PCCP
|
September 29, 2015
Ab initio investigation of the aqueous solvation of the nitrate ion
Spencer R Pruitt, Kurt R Brorsen, Mark S Gordon
The Journal of Chemical Physics
|
November 6, 2007
Accurate ab initio potential energy curve of F2. I. Nonrelativistic full valence configuration interaction energies using the correlation energy extrapolation by intrinsic scaling method
Laimutis Bytautas, Takeshi Nagata, Mark S Gordon, et al.
The Journal of Chemical Physics
|
May 6, 2006
Growing multiconfigurational potential energy surfaces with applications to X + H2 (X = C,N,O) reactions
Heather M Netzloff, Michael A Collins, Mark S Gordon
The Journal of Physical Chemistry. B
|
July 26, 2006
Comparative study of surface cycloadditions of ethylene and 2-butene on the Si(100)-2 x 1 surface
Hee Soon Lee, Cheol Ho Choi, Mark S Gordon
Journal of the American Chemical Society
|
November 5, 2025
Atoms and Bonds as Synergisms of Interacting Electrons and Nuclei. The Origin of Chemical Bonds in Polyatomic Molecules
Daniel Del Angel Cruz, Mark S Gordon, Klaus Ruedenberg
Journal of Chemical Theory and Computation
|
April 4, 2022
A Task-Based Approach to Parallel Restricted Hartree-Fock Calculations
David Poole, Jorge L Galvez Vallejo, Mark S Gordon
Journal of the American Chemical Society
|
May 23, 2002
Structure and thermodynamics of carbon and carbon/silicon precursors to nanostructures
Vassiliki-Alexandra Glezakou, Jerry A Boatz, Mark S Gordon
The Journal of Physical Chemistry. A
|
April 21, 2011
Benzene-pyridine interactions predicted by the effective fragment potential method
Quentin A Smith, Mark S Gordon, Lyudmila V Slipchenko
Page
of 26